(3-methoxy-7,13,14-trimethyl-15-oxidanyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) benzoate

Systemtic Name: (3-methoxy-7,13,14-trimethyl-15-oxidanyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) benzoate Openeye Name: (15-hydroxy-3-methoxy-7,13,14-trimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) benzoate CAS Name: benzoic acid (15-hydroxy-3-methoxy-7,13,14-trimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (15-hydroxy-3-methoxy-7,13,14-trimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) benzoate Traditional Name: benzoic acid (15-hydroxy-3-methoxy-7,13,14-trimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ester Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2)OC)C3C1C4(C(CC(C4(CC3)C)OC(=O)C5=CC=CC=C5)O)C

Isomeric SMILES

CC1CC2=C(C=CC(=C2)OC)C3C1C4(C(CC(C4(CC3)C)OC(=O)C5=CC=CC=C5)O)C

InChI

InChI=1S/C28H34O4/c1-17-14-19-15-20(31-4)10-11-21(19)22-12-13-27(2)24(16-23(29)28(27,3)25(17)22)32-26(30)18-8-6-5-7-9-18/h5-11,15,17,22-25,29H,12-14,16H2,1-4H3